PUBCHEM-ZINC06485370 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 35 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.4360 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -1.9590 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4280 -2.3760 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -2.3180 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -2.9650 -0.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -2.5080 -1.1990 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.4090 -3.9710 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -4.5050 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -5.9680 -2.5500 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.2410 -6.5180 -3.7580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8180 -6.2580 -3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -8.0400 -3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -8.7350 -2.2950 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -10.5170 -2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -5.9410 -4.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -5.1530 -4.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -0.0280 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.0190 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -4.4020 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -4.2450 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -4.0740 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.2320 -2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -8.3000 -3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -8.4480 -4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -11.0450 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -10.7150 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -10.8630 -3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 -1.9180 1.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -6.3030 -6.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -5.9060 -6.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 -2.1730 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 8 -1 M CHG 1 11 -1 M END